Max Planck Institute for Biological Cybernetics

A comprehensive and self-contained introduction to Gaussian processes, which provide a principled, practical, probabilistic approach to learning in kernel machines.

A comprehensive introduction to Support Vector Machines and related kernel methods. In the 1990s, a new type of learning algorithm was developed, based on results from statistical learning theory: the Support Vector Machine (SVM). This gave rise to a new class of theoretically elegant learning machines that use a central concept of SVMs—-kernels—for a number of learning tasks. Kernel machines provide a modular framework that can be adapted to different tasks and domains by the choice of the kernel function and the base algorithm. They are replacing neural networks in a variety of fields, including engineering, information retrieval, and bioinformatics. Learning with Kernels provides an introduction to SVMs and related kernel methods. Although the book begins with the basics, it also includes the latest research. It provides all of the concepts necessary to enable a reader equipped with some basic mathematical knowledge to enter the world of machine learning using theoretically well-founded yet easy-to-use kernel algorithms and to understand and apply the powerful algorithms that have been developed over the last few years.

A new method for performing a nonlinear form of principal component analysis is proposed. By the use of integral operator kernel functions, one can efficiently compute principal components in high-dimensional feature spaces, related to input space by some nonlinear map—for instance, the space of all possible five-pixel products in 16 × 16 images. We give the derivation of the method and present experimental results on polynomial feature extraction for pattern recognition.

My first exposure to Support Vector Machines came this spring when heard Sue Dumais present impressive results on text categorization using this analysis technique. This issue's collection of essays should help familiarize our readers with this interesting new racehorse in the Machine Learning stable. Bernhard Scholkopf, in an introductory overview, points out that a particular advantage of SVMs over other learning algorithms is that it can be analyzed theoretically using concepts from computational learning theory, and at the same time can achieve good performance when applied to real problems. Examples of these real-world applications are provided by Sue Dumais, who describes the aforementioned text-categorization problem, yielding the best results to date on the Reuters collection, and Edgar Osuna, who presents strong results on application to face detection. Our fourth author, John Platt, gives us a practical guide and a new technique for implementing the algorithm efficiently.

Rendering the semantic content of an image in different styles is a difficult image processing task. Arguably, a major limiting factor for previous approaches has been the lack of image representations that explicitly represent semantic information and, thus, allow to separate image content from style. Here we use image representations derived from Convolutional Neural Networks optimised for object recognition, which make high level image information explicit. We introduce A Neural Algorithm of Artistic Style that can separate and recombine the image content and style of natural images. The algorithm allows us to produce new images of high perceptual quality that combine the content of an arbitrary photograph with the appearance of numerous wellknown artworks. Our results provide new insights into the deep image representations learned by Convolutional Neural Networks and demonstrate their potential for high level image synthesis and manipulation.

Introduction to support vector learning roadmap. Part 1 Theory: three remarks on the support vector method of function estimation, Vladimir Vapnik generalization performance of support vector machines and other pattern classifiers, Peter Bartlett and John Shawe-Taylor Bayesian voting schemes and large margin classifiers, Nello Cristianini and John Shawe-Taylor support vector machines, reproducing kernel Hilbert spaces, and randomized GACV, Grace Wahba geometry and invariance in kernel based methods, Christopher J.C. Burges on the annealed VC entropy for margin classifiers - a statistical mechanics study, Manfred Opper entropy numbers, operators and support vector kernels, Robert C. Williamson et al. Part 2 Implementations: solving the quadratic programming problem arising in support vector classification, Linda Kaufman making large-scale support vector machine learning practical, Thorsten Joachims fast training of support vector machines using sequential minimal optimization, John C. Platt. Part 3 Applications: support vector machines for dynamic reconstruction of a chaotic system, Davide Mattera and Simon Haykin using support vector machines for time series prediction, Klaus-Robert Muller et al pairwise classification and support vector machines, Ulrich Kressel. Part 4 Extensions of the algorithm: reducing the run-time complexity in support vector machines, Edgar E. Osuna and Federico Girosi support vector regression with ANOVA decomposition kernels, Mark O. Stitson et al support vector density estimation, Jason Weston et al combining support vector and mathematical programming methods for classification, Bernhard Scholkopf et al.

In this paper, a new technique for modeling textured 3D faces is introduced. 3D faces can either be generated automatically from one or more photographs, or modeled directly through an intuitive user interface. Users are assisted in two key problems of computer aided face modeling. First, new face images or new 3D face models can be registered automatically by computing dense one-to-one correspondence to an internal face model. Second, the approach regulates the naturalness of modeled faces avoiding faces with an "unlikely" appearance. Starting from an example set of 3D face models, we derive a morphable face model by transforming the shape and texture of the examples into a vector space representation. New faces and expressions can be modeled by forming linear combinations of the prototypes. Shape and texture constraints derived from the statistics of our example faces are used to guide manual modeling or automated matching algorithms. We show 3D face reconstructions from single images and their applications for photo-realistic image manipulations. We also demonstrate face manipulations according to complex parameters such as gender, fullness of a face or its distinctiveness.

A comprehensive review of an area of machine learning that deals with the use of unlabeled data in classification problems: state-of-the-art algorithms, a taxonomy of the field, applications, benchmark experiments, and directions for future research. In the field of machine learning, semi-supervised learning (SSL) occupies the middle ground, between supervised learning (in which all training examples are labeled) and unsupervised learning (in which no label data are given). Interest in SSL has increased in recent years, particularly because of application domains in which unlabeled data are plentiful, such as images, text, and bioinformatics. This first comprehensive overview of SSL presents state-of-the-art algorithms, a taxonomy of the field, selected applications, benchmark experiments, and perspectives on ongoing and future research.Semi-Supervised Learning first presents the key assumptions and ideas underlying the field: smoothness, cluster or low-density separation, manifold structure, and transduction. The core of the book is the presentation of SSL methods, organized according to algorithmic strategies. After an examination of generative models, the book describes algorithms that implement the low-density separation assumption, graph-based methods, and algorithms that perform two-step learning. The book then discusses SSL applications and offers guidelines for SSL practitioners by analyzing the results of extensive benchmark experiments. Finally, the book looks at interesting directions for SSL research. The book closes with a discussion of the relationship between semi-supervised learning and transduction.

We consider the general problem of learning from labeled and unlabeled data, which is often called semi-supervised learning or transductive inference. A principled approach to semi-supervised learning is to design a classifying function which is sufficiently smooth with respect to the intrinsic structure collectively revealed by known labeled and unlabeled points. We present a simple algorithm to obtain such a smooth solution. Our method yields encouraging experimental results on a number of classification problems and demonstrates effective use of unlabeled data. 1

Directional data is ubiquitious in science. Due to its circular nature such data cannot be analyzed with commonly used statistical techniques. Despite the rapid development of specialized methods for directional statistics over the last fifty years, there is only little software available that makes such methods easy to use for practioners. Most importantly, one of the most commonly used programming languages in biosciences, <b>MATLAB</b>, is currently not supporting directional statistics. To remedy this situation, we have implemented the <b>CircStat</b> toolbox for <b>MATLAB</b> which provides methods for the descriptive and inferential statistical analysis of directional data. We cover the statistical background of the available methods and describe how to apply them to data. Finally, we analyze a dataset from neurophysiology to demonstrate the capabilities of the <b>CircStat</b> toolbox.

Elementary Properties

Learning general functional dependencies between arbitrary input and output spaces is one of the key challenges in computational intelligence. While recent progress in machine learning has mainly focused on designing flexible and powerful input representations, this paper addresses the complementary issue of designing classification algorithms that can deal with more complex outputs, such as trees, sequences, or sets. More generally, we consider problems involving multiple dependent output variables, structured output spaces, and classification problems with class attributes. In order to accomplish this, we propose to appropriately generalize the well-known notion of a separation margin and derive a corresponding maximum-margin formulation. While this leads to a quadratic program with a potentially prohibitive, i.e. exponential, number of constraints, we present a cutting plane algorithm that solves the optimization problem in polynomial time for a large class of problems. The proposed method has important applications in areas such as computational biology, natural language processing, information retrieval/extraction, and optical character recognition. Experiments from various domains involving different types of output spaces emphasize the breadth and generality of our approach.

We propose a framework for analyzing and comparing distributions, allowing us to design statistical tests to determine if two samples are drawn from different distributions. Our test statistic is the largest difference in expectations over functions in the unit ball of a reproducing kernel Hilbert space (RKHS). We present two tests based on large deviation bounds for the test statistic, while a third is based on the asymptotic distribution of this statistic. The test statistic can be computed in quadratic time, although efficient linear time approximations are available. Several classical metrics on distributions are recovered when the function space used to compute the difference in expectations is allowed to be more general (eg.~a Banach space). We apply our two-sample tests to a variety of problems, including attribute matching for databases using the Hungarian marriage method, where they perform strongly. Excellent performance is also obtained when comparing distributions over graphs, for which these are the first such tests.

We provide a new unifying view, including all existing proper probabilistic\nsparse approximations for Gaussian process regression. Our approach relies on\nexpressing the effective prior which the methods are using. This\nallows new insights to be gained, and highlights the relationship between\nexisting methods. It also allows for a clear theoretically justified ranking\nof the closeness of the known approximations to the corresponding full GPs.\nFinally we point directly to designs of new better sparse approximations,\ncombining the best of the existing strategies, within attractive\ncomputational constraints.

MOTIVATION: Many problems in data integration in bioinformatics can be posed as one common question: Are two sets of observations generated by the same distribution? We propose a kernel-based statistical test for this problem, based on the fact that two distributions are different if and only if there exists at least one function having different expectation on the two distributions. Consequently we use the maximum discrepancy between function means as the basis of a test statistic. The Maximum Mean Discrepancy (MMD) can take advantage of the kernel trick, which allows us to apply it not only to vectors, but strings, sequences, graphs, and other common structured data types arising in molecular biology. RESULTS: We study the practical feasibility of an MMD-based test on three central data integration tasks: Testing cross-platform comparability of microarray data, cancer diagnosis, and data-content based schema matching for two different protein function classification schemas. In all of these experiments, including high-dimensional ones, MMD is very accurate in finding samples that were generated from the same distribution, and outperforms its best competitors. CONCLUSIONS: We have defined a novel statistical test of whether two samples are from the same distribution, compatible with both multivariate and structured data, that is fast, easy to implement, and works well, as confirmed by our experiments. AVAILABILITY: http://www.dbs.ifi.lmu.de/~borgward/MMD.

We study the problem of object classification when training and test classes are disjoint, i.e. no training examples of the target classes are available. This setup has hardly been studied in computer vision research, but it is the rule rather than the exception, because the world contains tens of thousands of different object classes and for only a very few of them image, collections have been formed and annotated with suitable class labels. In this paper, we tackle the problem by introducing attribute-based classification. It performs object detection based on a human-specified high-level description of the target objects instead of training images. The description consists of arbitrary semantic attributes, like shape, color or even geographic information. Because such properties transcend the specific learning task at hand, they can be pre-learned, e.g. from image datasets unrelated to the current task. Afterwards, new classes can be detected based on their attribute representation, without the need for a new training phase. In order to evaluate our method and to facilitate research in this area, we have assembled a new large-scale dataset, “Animals with Attributes”, of over 30,000 animal images that match the 50 classes in Osherson's classic table of how strongly humans associate 85 semantic attributes with animal classes. Our experiments show that by using an attribute layer it is indeed possible to build a learning object detection system that does not require any training images of the target classes.

We study the problem of object classification when training and test classes are disjoint, i.e. no training examples of the target classes are available. This setup has hardly been studied in computer vision research, but it is the rule rather than the exception, because the world contains tens of thousands of different object classes and for only a very few of them image, collections have been formed and annotated with suitable class labels. In this paper, we tackle the problem by introducing attribute-based classification. It performs object detection based on a human-specified high-level description of the target objects instead of training images. The description consists of arbitrary semantic attributes, like shape, color or even geographic information. Because such properties transcend the specific learning task at hand, they can be pre-learned, e.g. from image datasets unrelated to the current task. Afterwards, new classes can be detected based on their attribute representation, without the need for a new training phase. In order to evaluate our method and to facilitate research in this area, we have assembled a new large-scale dataset, “Animals with Attributes”, of over 30,000 animal images that match the 50 classes in Osherson's classic table of how strongly humans associate 85 semantic attributes with animal classes. Our experiments show that by using an attribute layer it is indeed possible to build a learning object detection system that does not require any training images of the target classes.

We review machine learning methods employing positive definite kernels. These methods formulate learning and estimation problems in a reproducing kernel Hilbert space (RKHS) of functions defined on the data domain, expanded in terms of a kernel. Working in linear spaces of function has the benefit of facilitating the construction and analysis of learning algorithms while at the same time allowing large classes of functions. The latter include nonlinear functions as well as functions defined on nonvectorial data. We cover a wide range of methods, ranging from binary classifiers to sophisticated methods for estimation with structured data.

The development of functional magnetic resonance imaging (fMRI) has brought together a broad community of scientists interested in measuring the neural basis of the human mind. Because fMRI signals are an indirect measure of neural activity, interpreting these signals to make deductions about the nervous system requires some understanding of the signaling mechanisms. We describe our current understanding of the causal relationships between neural activity and the blood-oxygen-level-dependent (BOLD) signal, and we review how these analyses have challenged some basic assumptions that have guided neuroscience. We conclude with a discussion of how to use the BOLD signal to make inferences about the neural signal.

We consider the scenario where training and test data are drawn from different distributions, commonly referred to as sample selection bias.Most algorithms for this setting try to first recover sampling distributions and then make appropriate corrections based on the distribution estimate.We present a nonparametric method which directly produces resampling weights without distribution estimation.Our method works by matching distributions between training and testing sets in feature space.Experimental results demonstrate that our method works well in practice.